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6031-86-3 molecular structure
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(1R,9R)-4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-triene

ChemBase ID: 128319
Molecular Formular: C18H25NO
Molecular Mass: 271.3972
Monoisotopic Mass: 271.19361443
SMILES and InChIs

SMILES:
COc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3C)c2c1
Canonical SMILES:
COc1ccc2c(c1)[C@]13CCCCC3[C@@H](C2)N(CC1)C
InChI:
InChI=1S/C18H25NO/c1-19-10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(20-2)12-16(13)18/h6-7,12,15,17H,3-5,8-11H2,1-2H3/t15?,17-,18-/m1/s1
InChIKey:
MKXZASYAUGDDCJ-HSFDIDPMSA-N

Cite this record

CBID:128319 http://www.chembase.cn/molecule-128319.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(1R,9R)-4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-triene
IUPAC Traditional name
methorphan
Synonyms
Methorphan
CAS Number
6031-86-3
PubChem SID
162222627
PubChem CID
5359423
CHEMBL
282713
Chemspider ID
16736909
Unique Ingredient Identifier
8YB8F78WM1
Wikipedia Title
Methorphan

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.050376788  LogD (pH = 7.4) 1.0825826 
Log P 3.4937744  Molar Refractivity 82.5632 cm3
Polarizability 32.306057 Å3 Polar Surface Area 12.47 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

Wikipedia Wikipedia

REFERENCES

REFERENCES

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PATENTS

PATENTS

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